4,10-dimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione

• ChemBase ID: 220007
• Molecular Formular: C14H10O4
• Molecular Mass: 242.2268
• Monoisotopic Mass: 242.0579088
• SMILES: c12c(c(cc(=O)o2)C)cc2c(c1C)occc2=O
• Canonical SMILES: O=c1cc(C)c2c(o1)c(C)c1c(c2)c(=O)cco1
• InChI: InChI=1S/C14H10O4/c1-7-5-12(16)18-14-8(2)13-10(6-9(7)14)11(15)3-4-17-13/h3-6H,1-2H3
• InChIKey: KXMWWRFPFXEFLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,10-dimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione
• IUPAC Traditional name: 4,10-dimethylpyrano[3,2-g]chromene-2,6-dione

Database IDs

• PubChem SID: 164275917
• PubChem CID: 357010

CALCULATED PROPERTIES

• Acid pKa: 15.536656
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2924104
• LogD (pH = 7.4): 2.2924104
• Log P: 2.2924104
• Molar Refractivity: 66.1019 cm^3
• Polarizability: 24.603428 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds